2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C18H15BrN4S MolecularWeight: 399.3075

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC#N)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H15BrN4S/c19-16-8-6-15(7-9-16)17-21-22-18(24-13-11-20)23(17)12-10-14-4-2-1-3-5-14/h1-9H,10,12-13H2